3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C12H13FN2O3S — CID 55237655

IUPAC3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-4-2-8(13)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNRXHJRNNUDSZOU-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.21
Rot. Bonds2

About 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55237655) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55237655
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-4-2-8(13)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNRXHJRNNUDSZOU-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 55237655) is 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NRXHJRNNUDSZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-7-15(10(6-19-7)11(16)17)12(18)14-9-4-2-8(13)3-5-9/h2-5,7,10H,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).